N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

C12H11N3S3 — CID 107648576

IUPACN-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESc1csc(CC(Nc2nncs2)c2cccs2)c1
InChIInChI=1S/C12H11N3S3/c1-3-9(16-5-1)7-10(11-4-2-6-17-11)14-12-15-13-8-18-12/h1-6,8,10H,7H2,(H,14,15)
InChIKeyIUAWSPJASRFTQU-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.06
Rot. Bonds5

About N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine

N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 107648576) has the molecular formula C12H11N3S3 and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID107648576
Molecular FormulaC12H11N3S3
Molecular Weight293.44 g/mol
Exact Mass293.01
IUPAC NameN-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESc1csc(CC(Nc2nncs2)c2cccs2)c1
InChIInChI=1S/C12H11N3S3/c1-3-9(16-5-1)7-10(11-4-2-6-17-11)14-12-15-13-8-18-12/h1-6,8,10H,7H2,(H,14,15)
InChIKeyIUAWSPJASRFTQU-UHFFFAOYSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,2-dithiophen-2-ylethyl)-1H-pyrazol-4-amine
CID 43776937
N-(1,2-dithiophen-2-ylethyl)-4-methylaniline
CID 43765840
2-bromo-N-(1,2-dithiophen-2-ylethyl)aniline
CID 43762685
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
2-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 43782525
N-(1,2-dithiophen-2-ylethyl)-1-thiophen-2-ylpropan-2-amine
CID 43783115
4-chloro-N-(1,2-dithiophen-2-ylethyl)pyridin-3-amine
CID 83167757
N-(1,3,4-thiadiazol-2-yl)-3-thiophen-2-ylpropanamide
CID 29369897
2-[2-(1,2-dithiophen-2-ylethylamino)ethoxy]ethanol
CID 43771514
2-(1,2-dithiophen-2-ylethylamino)propanamide
CID 43777142
(2R)-2-(1,2-dithiophen-2-ylethylamino)propan-1-ol
CID 114986973
N-(1,2-dithiophen-2-ylethyl)cyclohexanamine
CID 43756050

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine (CID 107648576) is N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is c1csc(CC(Nc2nncs2)c2cccs2)c1.
What is the InChIKey of N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is IUAWSPJASRFTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S3/c1-3-9(16-5-1)7-10(11-4-2-6-17-11)14-12-15-13-8-18-12/h1-6,8,10H,7H2,(H,14,15).
What are the key properties of N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine?
N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dithiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).